1-(2-cyclopropyloxolane-2-carbonyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one

C16H27N3O3 — CID 166268817

IUPAC1-(2-cyclopropyloxolane-2-carbonyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one
SMILESCC1C(=O)N(CCN(C)C)CN1C(=O)C1(C2CC2)CCCO1
InChIInChI=1S/C16H27N3O3/c1-12-14(20)18(9-8-17(2)3)11-19(12)15(21)16(13-5-6-13)7-4-10-22-16/h12-13H,4-11H2,1-3H3
InChIKeyYBYBGLDBLYUEJE-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.52
Rot. Bonds5

About 1-(2-cyclopropyloxolane-2-carbonyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one

1-(2-cyclopropyloxolane-2-carbonyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one (PubChem CID 166268817) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(2-cyclopropyloxolane-2-carbonyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name1-(2-cyclopropyloxolane-2-carbonyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one
PubChem CID166268817
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name1-(2-cyclopropyloxolane-2-carbonyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one
SMILESCC1C(=O)N(CCN(C)C)CN1C(=O)C1(C2CC2)CCCO1
InChIInChI=1S/C16H27N3O3/c1-12-14(20)18(9-8-17(2)3)11-19(12)15(21)16(13-5-6-13)7-4-10-22-16/h12-13H,4-11H2,1-3H3
InChIKeyYBYBGLDBLYUEJE-UHFFFAOYSA-N
XLogP0.52
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyloxolane-2-carbonyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one?
The IUPAC name of 1-(2-cyclopropyloxolane-2-carbonyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one (CID 166268817) is 1-(2-cyclopropyloxolane-2-carbonyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one.
What is the SMILES notation for 1-(2-cyclopropyloxolane-2-carbonyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one?
The canonical SMILES for 1-(2-cyclopropyloxolane-2-carbonyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one is CC1C(=O)N(CCN(C)C)CN1C(=O)C1(C2CC2)CCCO1.
What is the InChIKey of 1-(2-cyclopropyloxolane-2-carbonyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one?
The InChIKey is YBYBGLDBLYUEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-12-14(20)18(9-8-17(2)3)11-19(12)15(21)16(13-5-6-13)7-4-10-22-16/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-(2-cyclopropyloxolane-2-carbonyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one?
1-(2-cyclopropyloxolane-2-carbonyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one has a molecular weight of 309.41 g/mol, XLogP of 0.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyloxolane-2-carbonyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one is sourced from PubChem (CID 166268817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).